branch: rosetta:commits 「№20543」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「5ecca6bc8」  code diff
Scheduled at: 2024-10-03 13:30:22.247742
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←5ecca6bc8be14b3b8f4b3eeb05d32c295d2a4b09 Updated Ligand Motifs Code ---------------- Merge commit message: fixing variable usage

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include_cc_check ligand_motif_discovery
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Test: linux.gcc.score

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Test: mac.clang.score

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branch: rosetta:commits 「№20542」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「ad8af88bd」  code diff
Scheduled at: 2024-10-03 13:18:41.716509
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←ad8af88bd678f8ea38e39f793971649a517065be Updated Ligand Motifs Code ---------------- Merge commit message: fixing syntax

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branch: rosetta:commits 「№20541」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「874b90430」  code diff
Scheduled at: 2024-10-03 13:09:03.420717
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←874b904307da9da0ebf8c265043a26060b1f8a8e Updated Ligand Motifs Code ---------------- Merge commit message: moving hash_motif_library_into_map() and motif_atoms typedef to motif_utils and out of LDS, as this functionality is likely better to make accessible beyond LDS

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branch: rosetta:commits 「№20540」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「ad64deea3」  code diff
Scheduled at: 2024-09-25 18:39:05.049159
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python310.PyRosetta.unit mac.clang.python38.PyRosetta.unit mac.clang.python39.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification ubuntu.clang.code_quality.cppcheck ubuntu.gcc.code_quality.cppcheck code_quality.merge_size serialization linux.clang.code_quality.submodule_regression linux.gcc.code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←ad64deea3f0a1906a43439a217bc6468e77856ad Updated Ligand Motifs Code ---------------- Merge commit message: Merge branch 'updated_ligand_discovery_search_code_ag_may_2024' of https://github.com/RosettaCommons/rosetta into updated_ligand_discovery_search_code_ag_may_2024

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Test: mac.clang.python39.integration

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include_cc_check ligand_motif_discovery
Test: linux.clang.performance

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Test: linux.clang.profile

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Test: linux.clang.score

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Test: linux.gcc.score

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Test: mac.clang.score

Failed sub-tests (click for more details):


branch: rosetta:commits 「№20539」
Commited by: Ari Benjamin Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「cf6ac522d」  code diff
Scheduled at: 2024-09-25 18:08:18.503810
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python310.PyRosetta.unit mac.clang.python38.PyRosetta.unit mac.clang.python39.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification ubuntu.clang.code_quality.cppcheck ubuntu.gcc.code_quality.cppcheck code_quality.merge_size serialization linux.clang.code_quality.submodule_regression linux.gcc.code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←cf6ac522d4c777a2443d44ed34f12cbd4f7894c1 Updated Ligand Motifs Code ---------------- Merge commit message: beautifying the lds app, which I guess just wasn't mentioned in a previous call of beautification test...

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branch: rosetta:commits 「№20538」
Commited by: Ari Benjamin Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「d6467d622」  code diff
Scheduled at: 2024-09-25 17:42:06.095367
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←d6467d62263e5a3bbc953a1c0045607880ae9960 Updated Ligand Motifs Code ---------------- Merge commit message: ran beautifier on these scripts

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branch: rosetta:commits 「№20537」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「81430b42b」  code diff
Scheduled at: 2024-09-25 17:25:01.334748
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.beautify code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←81430b42b43970dfc764d6993990c4ace074db11 Updated Ligand Motifs Code ---------------- Merge commit message: doing some cleaning

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branch: rosetta:commits 「№20536」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「3d3e2946e」  code diff
Scheduled at: 2024-09-25 17:22:58.251269
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←3d3e2946e6e1e3f1bf866e3a4f2167e3fe83395b Updated Ligand Motifs Code ---------------- Merge commit message: cleaning the code that resets working_pose_ after either succeeding or failing to produce a good placement (occurs after high_res_dock, which modifies the residues in the pose and we do not want that to stay between placements)

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branch: rosetta:commits 「№20535」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「043371104」  code diff
Scheduled at: 2024-09-25 16:45:40.480337
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←0433711049b273a071f5bf127fe0a6a96b433b8f Updated Ligand Motifs Code ---------------- Merge commit message: fixing variable name in making HRD function

Rosetta Benchmark 7 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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Test: linux.gcc.score

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branch: rosetta:commits 「№20534」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「20f5e398f」  code diff
Scheduled at: 2024-09-25 16:26:13.723577
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←20f5e398fbad7e8165defa54afcd8a355e764aad Updated Ligand Motifs Code ---------------- Merge commit message: compartmentalizing use and creation of highresdock into new functions

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branch: rosetta:commits 「№20533」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「c5a250c63」  code diff
Scheduled at: 2024-09-25 16:03:47.817046
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←c5a250c635906c95c25340f91a571e28a66fdeb4 Updated Ligand Motifs Code ---------------- Merge commit message: fixing making pointers and dereferencing

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Test: linux.clang.score

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branch: rosetta:commits 「№20532」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「1ff41d45d」  code diff
Scheduled at: 2024-09-25 15:43:01.020626
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←1ff41d45de9c77bc9fa58ea4ba196d570487e199 Updated Ligand Motifs Code ---------------- Merge commit message: fixin the original write of working_pose to original_pose

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Test: linux.clang.build.header

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Test: linux.gcc.code_quality.beautification

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Test: ubuntu.gcc.code_quality.merge_size

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Test: linux.gcc.mpi.serialization.integration.mpi

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Test: linux.clang.integration.release_debug_no_symbols

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Test: linux.gcc.cxx11thread.integration.thread

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Test: torch.clang.torch.python39.integration.torch

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Test: linux.clang.score

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Test: linux.gcc.score

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Test: mac.clang.score

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Test: linux.clang.python39.scripts.pyrosetta

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Test: linux.clang.scripts.rosetta.parse

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Test: linux.clang.unit

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Test: linux.gcc.cxx11thread.serialization.unit

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Test: linux.gcc.unit

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Test: mac.clang.unit

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Test: windows.cl.windows.build.debug

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branch: rosetta:commits 「№20531」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「aaa7b88fb」  code diff
Scheduled at: 2024-09-25 15:33:34.790457
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←aaa7b88fbf5a4608de5d67ab59415196df289667 Updated Ligand Motifs Code ---------------- Merge commit message: adding function to add the ligand mrt to the working and original poses

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Test: linux.clang.build.debug

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Test: linux.gcc.build.debug

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Test: linux.clang.build.header

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Test: linux.clang.build.ninja_debug

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Test: mac.clang.build.ninja_graphics

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Test: linux.clang.build.release

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Test: linux.clang.integration.release_debug_no_symbols

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Test: linux.clang.score

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Test: linux.clang.unit

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Test: linux.gcc.cxx11thread.serialization.unit

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Test: windows.cl.windows.build.debug

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branch: rosetta:commits 「№20530」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「2bbbe34a4」  code diff
Scheduled at: 2024-09-25 13:54:55.553309
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←2bbbe34a4489de095e2da07482c54585caec3a6b Updated Ligand Motifs Code ---------------- Merge commit message: rearrangign order that we start to set up ligand areas for highresdock to put check for if ligand is added to pose residuetypeset occur immediately before. This will be turned into adding making these into their own functions

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Test: linux.gcc.code_quality.beautification

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Test: ubuntu.gcc.code_quality.merge_size

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Test: linux.clang.tensorflow.integration.tensorflow

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Test: linux.gcc.cxx11thread.integration.thread

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Test: torch.clang.torch.python39.integration.torch

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Test: mac.clang.python39.integration

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include_cc_check ligand_motif_discovery
Test: linux.clang.performance

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Test: linux.clang.profile

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Test: linux.clang.score

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Test: linux.gcc.score

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Test: mac.clang.score

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branch: rosetta:commits 「№20529」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「865e384ed」  code diff
Scheduled at: 2024-09-25 13:43:12.891921
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←865e384ed1c473d3a9b2dbe3a554b22c2be2acd1 Updated Ligand Motifs Code ---------------- Merge commit message: also fixing syntax

Rosetta Benchmark 7 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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Test: linux.clang.performance

Failed sub-tests (click for more details):
Test: linux.clang.score

Failed sub-tests (click for more details):


branch: rosetta:commits 「№20528」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」「eb2fa1fd4」  code diff
Scheduled at: 2024-09-25 13:37:12.621764
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
build.ninja_debug graphics static windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←eb2fa1fd4d658191d54dbea3aab1a4e3d6c7c5eb Updated Ligand Motifs Code ---------------- Merge commit message: fixing constraint function because I forgot to add ligresOP to it. More importantly, adding function to score a given pose with a given score function, and integrating that into discover(). Keeping this function public, since it could have potential use cases outside of discover()

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Test: linux.clang.build.debug

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Test: linux.gcc.build.debug

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Test: linux.gcc.cxx11thread.serialization.build.debug

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Test: mac.clang.build.debug

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Test: linux.clang.build.ninja_debug

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Test: linux.clang.build.release

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Test: linux.gcc.build.release

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Test: linux.gcc.static.build.release

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